- InChI
- InChI=1S/C19H18O5/c1-13(2)12-23-18(21)14-7-5-8-15(10-14)19(22)24-17-9-4-3-6-16(17)11-20/h3-11,13H,12H2,1-2H3
- InChI Key
- ZUWDWQBENZNVTO-UHFFFAOYSA-N
- Formula
- C19H18O5
- SMILES
-
CC(C)COC(=O)c1cccc(C(=O)Oc2ccc
cc2C=O)c1 - Molecular Weight1
- 326.34
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -255.14 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -565.83 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 36.61 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.41 | kJ/mol | Joback Calculated Property |
| log10WS | -5.06 | Crippen Calculated Property | |
| logPoct/wat | 3.531 | Crippen Calculated Property | |
| McVol | 247.500 | ml/mol | McGowan Calculated Property |
| Pc | 2000.12 | kPa | Joback Calculated Property |
| Inp | [2685.00; 2685.00] |
|
|
| Inp | 2685.00 | NIST | |
| Inp | 2685.00 | NIST | |
| Tboil | 898.24 | K | Joback Calculated Property |
| Tc | 1130.30 | K | Joback Calculated Property |
| Tfus | 553.09 | K | Joback Calculated Property |
| Vc | 0.943 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [734.18; 786.85] | J/mol×K | [898.24; 1130.30] |
|
| Cp,gas | 734.18 | J/mol×K | 898.24 | Joback Calculated Property |
| Cp,gas | 746.11 | J/mol×K | 936.92 | Joback Calculated Property |
| Cp,gas | 756.73 | J/mol×K | 975.59 | Joback Calculated Property |
| Cp,gas | 766.09 | J/mol×K | 1014.27 | Joback Calculated Property |
| Cp,gas | 774.21 | J/mol×K | 1052.94 | Joback Calculated Property |
| Cp,gas | 781.12 | J/mol×K | 1091.62 | Joback Calculated Property |
| Cp,gas | 786.85 | J/mol×K | 1130.30 | Joback Calculated Property |
| η | [0.0000649; 0.0005329] | Pa×s | [553.09; 898.24] |
|
| η | 0.0005329 | Pa×s | 553.09 | Joback Calculated Property |
| η | 0.0003180 | Pa×s | 610.62 | Joback Calculated Property |
| η | 0.0002074 | Pa×s | 668.14 | Joback Calculated Property |
| η | 0.0001448 | Pa×s | 725.66 | Joback Calculated Property |
| η | 0.0001065 | Pa×s | 783.19 | Joback Calculated Property |
| η | 0.0000817 | Pa×s | 840.72 | Joback Calculated Property |
| η | 0.0000649 | Pa×s | 898.24 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2-formylphenyl isobutyl ester.
Sources
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